Geometry & MOs

Info

ID:

304810

PubChem CID:

124766196

Reduced:

N3O4C25H29 (1)

Stoich.:

A3B4C25D29 (1)

Weight, g/mol:

435.215806

ΔHf, kcal/mol:

-102.97

Dipole, Da:

10.02

IP(EA), eV:

 -8.4(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5R,6R,7R)-2-N-cyclopentyl-6-N-(2-methylphenyl)-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@@H]2[C@H]3C=C[C@@]4([C@@H]2C(=O)N([C@H]4C(=O)NC5CCCC5)CC=C)O3

DOS

IR

Vibrations